Study on the Effect of Iron Content on the Flotation of Iron-bearing Sphalerite Based on Density Functional Theory

FENG Yao; LIU Xiaomei; CHEN Ye; TAN Zeling; HUANG Jing

doi:10.13779/j.cnki.issn1001-0076.2022.01.003

2022 Vol. 42, No. 1

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FENG Yao, LIU Xiaomei, CHEN Ye, TAN Zeling, HUANG Jing. Study on the Effect of Iron Content on the Flotation of Iron-bearing Sphalerite Based on Density Functional Theory[J]. Conservation and Utilization of Mineral Resources, 2022, 42(1): 15-20. doi: 10.13779/j.cnki.issn1001-0076.2022.01.003

Citation:

FENG Yao, LIU Xiaomei, CHEN Ye, TAN Zeling, HUANG Jing. Study on the Effect of Iron Content on the Flotation of Iron-bearing Sphalerite Based on Density Functional Theory[J]. Conservation and Utilization of Mineral Resources, 2022, 42(1): 15-20. doi: 10.13779/j.cnki.issn1001-0076.2022.01.003

Study on the Effect of Iron Content on the Flotation of Iron-bearing Sphalerite Based on Density Functional Theory

1.
School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004, Guangxi, China
2.
School of Resources, Environment and Materials, Guangxi University, Nanning 530004, Guangxi, China

More Information

Corresponding author: CHEN Ye, yechen@gxu.edu.cn

Received Date: 23 February 2022

Publish Date: 25 February 2022

Abstract

Abstract

The surface relaxation, electronic properties, and copper activation on sphalerite (110) surface were studied by using density functional theory (DFT), in order to investigate the effect of iron content on the iron-bearing sphalerite. The results showed that for the sphalerite with low iron content, the relaxation of zinc atoms and iron atoms on the sphalerite (110) surface to the interior of the surface becomes smaller, which reduces the steric hindrance; the electronic density of states and the energy band structure showed that the electronic activity of iron is relatively strong and there is no spin polarization, which means that low iron content may favor the flotation of sphalerite. For sphalerite with high iron content, the iron atoms on the surface relax more towards the interior, which increases the steric hindrance; the electronic state density and energy band structure showed that the activity of iron is not high, and spin polarization occurs, which is not conducive to flotation. However, iron on the sphalerite (110) surface is not easily replaced by copper, and the more iron content, the less conducive to the replacement of copper. This study explains the effect of iron content affecting surface properties and copper activation on sphalerite (110) surface at an atomic level, which provides theoretical guidance for the flotation of iron-bearing sphalerite.
- iron-bearing sphalerite /
- froth flotation /
- density functional theory /
- surface properties /
- electronic properties /
- reagent adsorption

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